N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide

C18H21FN4O — CID 146104061

About N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide (PubChem CID 146104061) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide
• PubChem CID: 146104061
• Molecular Formula: C18H21FN4O
• Molecular Weight: 328.39 g/mol
• Exact Mass: 328.17
• IUPAC Name: N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide
• SMILES: O=C(NCCc1ccc(F)cc1)N1CCc2[nH]cnc2C12CCC2
• InChI: InChI=1S/C18H21FN4O/c19-14-4-2-13(3-5-14)6-10-20-17(24)23-11-7-15-16(22-12-21-15)18(23)8-1-9-18/h2-5,12H,1,6-11H2,(H,20,24)(H,21,22)
• InChIKey: GNDZZKZEMFTWOX-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.39
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide?

The IUPAC name of N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide (CID 146104061) is N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide?

The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide is O=C(NCCc1ccc(F)cc1)N1CCc2[nH]cnc2C12CCC2.

What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide?

The InChIKey is GNDZZKZEMFTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-4-2-13(3-5-14)6-10-20-17(24)23-11-7-15-16(22-12-21-15)18(23)8-1-9-18/h2-5,12H,1,6-11H2,(H,20,24)(H,21,22).

What are the key properties of N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide?

N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)ethyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-carboxamide is sourced from PubChem (CID 146104061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).